SCHEMBL211808

SCHEMBL211808

CCNCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
SLC2A4 P14672 1/20 0.48
ADRA2C P18825 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Gapicomine SCHEMBL1037773 0.85 SLC2A4 (0.61) GAASLC2A4ADRA2CALDH1A1CYP3A4
Gapicomine SCHEMBL6121683 0.82 SLC2A4 (0.59) GAASLC2A4ALDH1A1CYP3A4CYP2D6
Gapicomine SCHEMBL9336954 0.82 SLC2A4 (0.59) GAASLC2A4ALDH1A1CYP3A4CYP2D6
SCHEMBL10054983 0.82 SLC2A4 (0.59) GAASLC2A4ALDH1A1KDM4EGLA
SCHEMBL3741348 0.82 ALDH1A1 (0.50) GAASLC2A4ALDH1A1KDM4EGLA
SCHEMBL9180552 0.82 LMNA (0.52) ALDH1A1KDM4ENPSR1CYP2D6LMNA
Cycloheptanamine SCHEMBL7486009 0.81 MAPT (0.44) GAASLC2A4KDM4EGLACYP3A4
Diethylamine SCHEMBL11141239 0.81 RAB9A (0.48) ALDH1A1KDM4ENPSR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5395461 0.80 ALDH1A1 (0.49) GAASLC2A4ALDH1A1KDM4EGLA
SCHEMBL29444840 0.80 MEN1 (0.56) GAASLC2A4ALDH1A1KDM4EGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 519 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-118221424-B Anti-skid and anti-fouling ceramic tile and preparation method thereof 广东大角鹿新材料有限公司 2024-07-30 CN claimed
CN-118221424-A Anti-skid and anti-fouling ceramic tile and preparation method thereof 广东大角鹿新材料有限公司 2024-06-21 CN claimed
US-20240154124-A1 NEGATIVE ELECTRODE PLATE AND LITHIUM-ION BATTERY COMPRISING SAME ZHUHAI COSMX BATTERY CO., LTD. (CN) 2024-05-09 US claimed
CN-117751935-A Composition containing fluroxypyr meptyl ester 安徽省四达农药化工有限公司 2024-03-26 CN claimed
CN-117624031-A Preparation method of 4- (ethylaminomethyl) pyridine 安徽华邦药业有限公司 2024-03-01 CN claimed
CN-117362219-A Preparation method of 4- (ethylaminomethyl) pyridine 南京法恩化学有限公司 2024-01-09 CN claimed
CN-117362220-A Preparation method of topiramate 南京法恩化学有限公司 2024-01-09 CN claimed
CN-115210339-A Etching solution for titanium nitride and molybdenum conductive metal wires 弗萨姆材料美国有限责任公司 2022-10-18 CN claimed
CN-103159672-A Preparation method of tropine amide HUNAN IVEN BIO TECHNOLOGY CO LTD 2013-06-19 CN claimed
WO-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 WO claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R GAA 3522/4885SLC2A4 1661/4885ADRA2C 200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.